Advanced tandem mass spectrometry in metabolomics and lipidomics—methods and applications

S Heiles - Analytical and Bioanalytical Chemistry, 2021 - Springer
Metabolomics and lipidomics are new drivers of the omics era as molecular signatures and
selected analytes allow phenotypic characterization and serve as biomarkers, respectively …

Determination of the compound class and functional groups in protonated analytes via diagnostic gas‐phase ion‐molecule reactions

JKY Liu, E Niyonsaba, KZ Alzarieni… - Mass Spectrometry …, 2023 - Wiley Online Library
Diagnostic gas‐phase ion‐molecule reactions serve as a powerful alternative to collision‐
activated dissociation for the structural elucidation of analytes when using tandem mass …

Effects of residual water in a linear quadrupole ion trap on the protonation sites of 4-aminobenzoic acid

R Kumar, R Yerabolu… - Journal of the American …, 2019 - ACS Publications
In solution, the most basic site in 4-aminobenzoic acid is the amino nitrogen, while the
carboxylic acid oxygen is the most basic site in the gas phase. However, the protonation site …

Characterization of protonated substituted Ureas by using diagnostic gas-phase ion-molecule reactions followed by collision-activated dissociation in tandem mass …

E Feng, X Ma, HI Kenttämaa - Analytical Chemistry, 2021 - ACS Publications
Substituted ureas correspond to a class of organic compounds commonly used in
agricultural and chemical fields. However, distinguishing between different ureas and …

Factors affecting the limit of detection for HPLC/tandem mass spectrometry experiments based on gas-phase ion–molecule reactions

LF Easterling, R Yerabolu, R Kumar… - Analytical …, 2020 - ACS Publications
Diagnostic and predictable gas-phase ion–molecule reactions have emerged as a potential
alternative to collision-activated dissociation in tandem mass spectrometry (MS2) …

Oxidative degradation in pharmaceuticals: mechanism and stabilization of a spray-dried amorphous drug–a case study

RR Kotha, K Zhang, P Yehl, A Kumar - Journal of Pharmaceutical and …, 2022 - Elsevier
Drug formulations such as spray drying are often required to improve the physicochemical
properties and bioavailability of hydrophobic drugs. However, excipients often carry …

Ion‐molecule reactions of mass‐selected ions

K Parker, NE Bollis, V Ryzhov - Mass Spectrometry Reviews, 2024 - Wiley Online Library
Gas‐phase reactions of mass‐selected ions with neutrals covers a very broad area of
fundamental and applied mass spectrometry (MS). Oftentimes, ion‐molecule reactions (IMR) …

Integration of a multichannel pulsed-valve inlet system to a linear quadrupole ion trap mass spectrometer for the rapid consecutive introduction of nine reagents for …

JY Kong, RT Hilger, C **, R Yerabolu… - Analytical …, 2019 - ACS Publications
Gas-phase ion/molecule reactions have been used extensively for the structural elucidation
of organic compounds in tandem mass spectrometry. Reagents for ion/molecule reactions …

Effects of Analyte Concentration on the Protonation Sites of 4-Aminobenzoic Acid upon Atmospheric Pressure Chemical Ionization As Revealed by Gas-Phase Ion …

R Kumar, HI Kenttämaa - Journal of the American Society for …, 2020 - ACS Publications
The most basic site of 4-aminobenzoic acid in aqueous solution is the amino nitrogen, while
the carbonyl oxygen is calculated to be the most basic site in the gas phase. However, the …

A fixed‐charge model of the N‐protomer of 4‐aminobenzoic acid to facilitate the study of the unimolecular and bimolecular chemistry of its “neutral” carboxylic acid …

B Zhang, L Burchill, WAO Altalhi, HZ Ma… - … in Mass Spectrometry, 2024 - Wiley Online Library
Rationale There are a growing number of examples of protomers formed via electrospray
ionization (ESI) that do not fragment under mobile proton conditions, giving rise to distinct …